N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine

C13H20N2O — CID 106401408

IUPACN-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
SMILESC=CCCOCCNCCc1cccnc1
InChIInChI=1S/C13H20N2O/c1-2-3-10-16-11-9-14-8-6-13-5-4-7-15-12-13/h2,4-5,7,12,14H,1,3,6,8-11H2
InChIKeyDRNHYLVQJFQPGD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.81
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine

N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine (PubChem CID 106401408) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
PubChem CID106401408
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
SMILESC=CCCOCCNCCc1cccnc1
InChIInChI=1S/C13H20N2O/c1-2-3-10-16-11-9-14-8-6-13-5-4-7-15-12-13/h2,4-5,7,12,14H,1,3,6,8-11H2
InChIKeyDRNHYLVQJFQPGD-UHFFFAOYSA-N
XLogP1.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967
(-)-Anatabine
CID 11388
4-Pyridinemethanamine
CID 77317
N-Methylpyridine-4-methylamine
CID 81436
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474
4-Pyridineethanamine
CID 83275
(2-Phenylethyl)(3-pyridinylmethyl)amine hydrochloride
CID 201618
3-(Methylaminomethyl)pyridine
CID 88393
(R)-(+)-Anatabine
CID 12306779
1-(4-Morpholinyl)-2-(3-pyridinyl)ethanethione
CID 95002
2-(Pyridin-3-yl)ethan-1-amine
CID 854051

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine (CID 106401408) is N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine is C=CCCOCCNCCc1cccnc1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine?
The InChIKey is DRNHYLVQJFQPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-10-16-11-9-14-8-6-13-5-4-7-15-12-13/h2,4-5,7,12,14H,1,3,6,8-11H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine?
N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 106401408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).